N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide

C12H12ClF3N2O — CID 138475338

IUPACN-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide
SMILESC/C=C(\C)N(N)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c1-3-7(2)18(17)11(19)10-8(12(14,15)16)5-4-6-9(10)13/h3-6H,17H2,1-2H3/b7-3+
InChIKeyNPLVONPVMAZFKZ-XVNBXDOJSA-N
MW292.69 g/mol
LogP3.60
Rot. Bonds2

About N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide

N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide (PubChem CID 138475338) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide
PubChem CID138475338
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC NameN-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide
SMILESC/C=C(\C)N(N)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c1-3-7(2)18(17)11(19)10-8(12(14,15)16)5-4-6-9(10)13/h3-6H,17H2,1-2H3/b7-3+
InChIKeyNPLVONPVMAZFKZ-XVNBXDOJSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide (CID 138475338) is N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide is C/C=C(\C)N(N)C(=O)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide?
The InChIKey is NPLVONPVMAZFKZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c1-3-7(2)18(17)11(19)10-8(12(14,15)16)5-4-6-9(10)13/h3-6H,17H2,1-2H3/b7-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide?
N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide has a molecular weight of 292.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-2-chloro-6-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 138475338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).